SCHEMBL493121

SCHEMBL493121

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)COC2CCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 9/20 0.46
MEN1 O00255 5/20 0.46
CCL5 P13501 1/20 0.41
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
OPRL1 P41146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR5 P51681 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL493113 0.95 PKM (0.46) PKMTSHRKMT2AMEN1CCL5
SCHEMBL492826 0.95 PKM (0.44) PKMTSHRKMT2AMEN1MAPT
SCHEMBL492846 0.95 PKM (0.52) PKMTSHRKMT2AMEN1CCL5
SCHEMBL493569 0.94 PKM (0.42) PKMTSHRKMT2AMEN1CCL5
SCHEMBL492967 0.93 KMT2A (0.42) PKMTSHRKMT2AMEN1MAPT
SCHEMBL492633 0.92 KMT2A (0.45) PKMTSHRKMT2AMEN1MAPT
SCHEMBL493323 0.91 PKM (0.46) PKMTSHRKMT2AMEN1MAPT
SCHEMBL493187 0.91 PKM (0.44) PKMTSHRKMT2AMEN1MAPT
SCHEMBL493257 0.91 GAA (0.43) PKMTSHRKMT2AMEN1MAPT
SCHEMBL493142 0.90 EPHX2 (0.43) PKMTSHRKMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD PKM 1161/4885TSHR 4051/4885KMT2A 1749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.